151 related articles for article (PubMed ID: 20369823)
1. Experimental charge density analysis of symmetrically substituted ferrocene derivatives.
Makal AM; Plazuk D; Zakrzewski J; Misterkiewicz B; Woźniak K
Inorg Chem; 2010 May; 49(9):4046-59. PubMed ID: 20369823
[TBL] [Abstract][Full Text] [Related]
2. Theoretical analysis of the electronic properties of the sex pheromone and its analogue derivatives in the female processionary moth Thaumetopoea pytiocampa.
Chamorro ER; Sequeira AF; Zalazar MF; Peruchena NM
Bioorg Med Chem; 2008 Sep; 16(18):8535-45. PubMed ID: 18752964
[TBL] [Abstract][Full Text] [Related]
3. Experimental and theoretical charge density distribution of the colossal magnetoresistive transition metal sulfide FeCr2S4.
Lo Presti L; Destro R
J Chem Phys; 2008 Jan; 128(4):044710. PubMed ID: 18247984
[TBL] [Abstract][Full Text] [Related]
4. DFT-UX3LYP studies on the coordination chemistry of Ni2+. Part 1: Six coordinate [Ni(NH3)n(H2O)(6-n)]2+ complexes.
Varadwaj PR; Cukrowski I; Marques HM
J Phys Chem A; 2008 Oct; 112(42):10657-66. PubMed ID: 18823109
[TBL] [Abstract][Full Text] [Related]
5. Determination of experimental charge density in model nickel macrocycle: [3,11-bis(methoxycarbonyl)-1,5,9,13-tetraazacyclohexadeca-1,3,9,11-tetraenato-(2-)-kappa(4)N]nickel(II).
Domagała S; Korybut-Daszkiewicz B; Straver L; Woźniak K
Inorg Chem; 2009 May; 48(9):4010-20. PubMed ID: 19354267
[TBL] [Abstract][Full Text] [Related]
6. An experimental (120 K) and theoretical electron-density study of KMnO4 and KClO4.
Marabello D; Bianchi R; Gervasio G; Cargnoni F
Acta Crystallogr A; 2004 Sep; 60(Pt 5):494-501. PubMed ID: 15477690
[TBL] [Abstract][Full Text] [Related]
7. Experimental bond critical point and local energy density properties determined for Mn-O, Fe-O, and Co-O bonded interactions for tephroite, Mn2SiO4, fayalite, Fe2SiO4, and Co2SiO4 olivine and selected organic metal complexes: comparison with properties calculated for non-transition and transition metal M-O bonded interactions for silicates and oxides.
Gibbs GV; Downs RT; Cox DF; Rosso KM; Ross NL; Kirfel A; Lippmann T; Morgenroth W; Crawford TD
J Phys Chem A; 2008 Sep; 112(37):8811-23. PubMed ID: 18714960
[TBL] [Abstract][Full Text] [Related]
8. Progress in the understanding of drug-receptor interactions, Part 1: experimental charge-density study of an angiotensin II receptor antagonist (C30H30N6O3S) at T = 17 K.
Destro R; Soave R; Barzaghi M; Lo Presti L
Chemistry; 2005 Aug; 11(16):4621-34. PubMed ID: 15915518
[TBL] [Abstract][Full Text] [Related]
9. The physical chemistry of coordinated aqua-, ammine-, and mixed-ligand Co2+ complexes: DFT studies on the structure, energetics, and topological properties of the electron density.
Varadwaj PR; Marques HM
Phys Chem Chem Phys; 2010 Mar; 12(9):2126-38. PubMed ID: 20165761
[TBL] [Abstract][Full Text] [Related]
10. Continua of interactions between pairs of atoms in molecular crystals.
Dominiak PM; Makal A; Mallinson PR; Trzcinska K; Eilmes J; Grech E; Chruszcz M; Minor W; Woźniak K
Chemistry; 2006 Feb; 12(7):1941-9. PubMed ID: 16389615
[TBL] [Abstract][Full Text] [Related]
11. Atomic interactions in ethylenebis(1-indenyl)zirconium dichloride as derived by experimental electron density analysis.
Stash AI; Tanaka K; Shiozawa K; Makino H; Tsirelson VG
Acta Crystallogr B; 2005 Aug; 61(Pt 4):418-28. PubMed ID: 16041091
[TBL] [Abstract][Full Text] [Related]
12. The experimental and theoretical QTAIMC study of the atomic and molecular interactions in dinitrogen tetroxide.
Tsirelson VG; Shishkina AV; Stash AI; Parsons S
Acta Crystallogr B; 2009 Oct; 65(Pt 5):647-58. PubMed ID: 19767687
[TBL] [Abstract][Full Text] [Related]
13. Electron density distributions calculated for the nickel sulfides millerite, vaesite, and heazlewoodite and nickel metal: a case for the importance of ni-ni bond paths for electron transport.
Gibbs GV; Downs RT; Prewitt CT; Rosso KM; Ross NL; Cox DF
J Phys Chem B; 2005 Nov; 109(46):21788-95. PubMed ID: 16853830
[TBL] [Abstract][Full Text] [Related]
14. Theoretical electron density distributions for Fe- and Cu-sulfide earth materials: a connection between bond length, bond critical point properties, local energy densities, and bonded interactions.
Gibbs GV; Cox DF; Rosso KM; Ross NL; Downs RT; Spackman MA
J Phys Chem B; 2007 Mar; 111(8):1923-31. PubMed ID: 17274642
[TBL] [Abstract][Full Text] [Related]
15. Molecular and crystal properties of ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities.
Tsirelson VG; Stash AI; Potemkin VA; Rykounov AA; Shutalev AD; Zhurova EA; Zhurov VV; Pinkerton AA; Gurskaya GV; Zavodnik VE
Acta Crystallogr B; 2006 Aug; 62(Pt 4):676-88. PubMed ID: 16840817
[TBL] [Abstract][Full Text] [Related]
16. The structure and chemical bonding in the N(2)-CuX and N(2)...XCu (X = F, Cl, Br) systems studied by means of the molecular orbital and Quantum Chemical Topology methods.
Kisowska K; Berski S; Latajka Z
J Comput Chem; 2008 Dec; 29(16):2677-92. PubMed ID: 18484638
[TBL] [Abstract][Full Text] [Related]
17. Bond length and local energy density property connections for non-transition-metal oxide-bonded interactions.
Gibbs GV; Spackman MA; Jayatilaka D; Rosso KM; Cox DF
J Phys Chem A; 2006 Nov; 110(44):12259-66. PubMed ID: 17078623
[TBL] [Abstract][Full Text] [Related]
18. Topology of charge density of flucytosine and related molecules and characteristics of their bond charge distributions.
Murgich J; Franco HJ; San-Blas G
J Phys Chem A; 2006 Aug; 110(33):10106-15. PubMed ID: 16913685
[TBL] [Abstract][Full Text] [Related]
19. Exploring the lower limit in hydrogen bonds: analysis of weak C-H...O and C-H...pi interactions in substituted coumarins from charge density analysis.
Munshi P; Guru Row TN
J Phys Chem A; 2005 Feb; 109(4):659-72. PubMed ID: 16833393
[TBL] [Abstract][Full Text] [Related]
20. Topological analysis of the electron density distribution in perturbed systems. I. Effect of charge on the bond properties of hydrogen fluoride.
Espinosa E; Alkorta I; Mata I; Molins E
J Phys Chem A; 2005 Jul; 109(29):6532-9. PubMed ID: 16833999
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]